source: src/BoundaryLineSet.hpp@ c38826

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since c38826 was d74077, checked in by Frederik Heber <heber@…>, 14 years ago

Member variable Vector and element of class atom are now private.

  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * BoundaryLineSet.hpp
3 *
4 * Created on: Jul 29, 2010
5 * Author: heber
6 */
7
8#ifndef BOUNDARYLINESET_HPP_
9#define BOUNDARYLINESET_HPP_
10
11#include "BoundaryMaps.hpp"
12
13#include <iostream>
14#include <map>
15
16class BoundaryLineSet;
17class BoundaryPointSet;
18class BoundaryTriangleSet;
19
20class BoundaryLineSet {
21 public:
22 BoundaryLineSet();
23 BoundaryLineSet(BoundaryPointSet * const Point[2], const int number);
24 BoundaryLineSet(BoundaryPointSet * const Point1, BoundaryPointSet * const Point2, const int number);
25 ~BoundaryLineSet();
26
27 void AddTriangle(BoundaryTriangleSet * const triangle);
28 bool IsConnectedTo(const BoundaryLineSet * const line) const;
29 bool ContainsBoundaryPoint(const BoundaryPointSet * const point) const;
30 bool CheckConvexityCriterion() const;
31 double CalculateConvexity() const;
32 class BoundaryPointSet *GetOtherEndpoint(const BoundaryPointSet * const point) const;
33 class BoundaryTriangleSet *GetOtherTriangle(const BoundaryTriangleSet * const triangle) const;
34
35 class BoundaryPointSet *endpoints[2];
36 TriangleMap triangles;
37 int Nr;
38 bool skipped;
39};
40
41std::ostream & operator << (std::ostream &ost, const BoundaryLineSet &a);
42
43template <typename T> void SetEndpointsOrdered(T endpoints[2], T endpoint1, T endpoint2)
44{
45 if (endpoint1->Nr < endpoint2->Nr) {
46 endpoints[0] = endpoint1;
47 endpoints[1] = endpoint2;
48 } else {
49 endpoints[0] = endpoint2;
50 endpoints[1] = endpoint1;
51 }
52};
53
54#endif /* BOUNDARYLINESET_HPP_ */
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